1-((4-Fluorophenyl)sulfonyl)-4-methylpiperazine

Base Information

Chemical Name:1-((4-Fluorophenyl)sulfonyl)-4-methylpiperazine
CAS No.:125926-53-6
Molecular Formula:C11H15FN2O2S
Molecular Weight:258.317
Hs Code.:
DSSTox Substance ID:DTXSID90354286
Nikkaji Number:J3.508.351K
Wikidata:Q82132337
ChEMBL ID:CHEMBL2132278
Mol file:125926-53-6.mol

Synonyms:125926-53-6;1-((4-fluorophenyl)sulfonyl)-4-methylpiperazine;Piperazine, 1-[(4-fluorophenyl)sulfonyl]-4-methyl-;1-(4-fluorophenyl)sulfonyl-4-methylpiperazine;1-[(4-fluorophenyl)sulfonyl]-4-methylpiperazine;1-(4-FLUOROBENZENESULFONYL)-4-METHYLPIPERAZINE;1-(4-Fluoro-benzenesulfonyl)-4-methyl-piperazine;Oprea1_381120;Oprea1_871439;MLS001210137;SCHEMBL424172;CHEMBL2132278;DTXSID90354286;DSGBFQDACFDOAP-UHFFFAOYSA-N;STK096268;AKOS000565681;AM86459;SMR000517940;CS-0318647;N11547;A1-03477

Suppliers and Price of 1-((4-Fluorophenyl)sulfonyl)-4-methylpiperazine

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Matrix Scientific
1-((4-Fluorophenyl)sulfonyl)-4-methylpiperazine 95%
5g
$ 350.00

Matrix Scientific
1-((4-Fluorophenyl)sulfonyl)-4-methylpiperazine 95%
1g
$ 113.00

A1 Biochem Labs
1-((4-Fluorophenyl)sulfonyl)-4-methylpiperazine 95%
5 g
$ 900.00

Total 3 raw suppliers

Chemical Property of 1-((4-Fluorophenyl)sulfonyl)-4-methylpiperazine

Chemical Property:

PSA：49.00000
LogP:1.71840
XLogP3:1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:258.08382706
Heavy Atom Count:17
Complexity:339

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

1-((4-Fluorophenyl)sulfonyl)-4-methylpiperazine 95% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)F

Technology Process of 1-((4-Fluorophenyl)sulfonyl)-4-methylpiperazine

There total 4 articles about 1-((4-Fluorophenyl)sulfonyl)-4-methylpiperazine which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 97.0%

: 109-01-3
1-methyl-piperazine

: 349-88-2
4-Fluorobenzenesulfonyl chloride

: 125926-53-6
1-<(4-fluorophenyl)sulfonyl>-4-methylpiperazine

Guidance literature:: 1-methyl-piperazine; With triethylamine; In dichloromethane; at 0 ℃; for 0.5h;

4-Fluorobenzenesulfonyl chloride; In dichloromethane; at 0 - 20 ℃;

Reference yield: 89.0%

: C₁₂H₁₅F₃N₂O₅S₂

: 125926-53-6
1-<(4-fluorophenyl)sulfonyl>-4-methylpiperazine

Guidance literature:: With [COD(Pd-AlPhos)₂]; cesium fluoride; In toluene; at 20 ℃; for 96h; Inert atmosphere; Glovebox; Sealed tube;
DOI:10.1021/jacs.5b09308

Reference yield:

: 837-12-7
1-((4-bromophenyl)sulfonyl)-4-methylpiperazine

: 125926-53-6
1-<(4-fluorophenyl)sulfonyl>-4-methylpiperazine

Guidance literature:: Multi-step reaction with 3 steps

1: cesium hydroxide; t-BuBrettPhos; C₄₄H₆₂NO₅PPdS / 1,4-dioxane; water / 22 h / 20 °C / Inert atmosphere

2: triethylamine / dichloromethane / 0.75 h / -78 - 0 °C

3: cesium fluoride; [COD(Pd-AlPhos)₂] / toluene / 96 h / 20 °C / Inert atmosphere; Glovebox; Sealed tube

With cesium hydroxide; t-BuBrettPhos; C₄₄H₆₂NO₅PPdS; [COD(Pd-AlPhos)₂]; triethylamine; cesium fluoride; In 1,4-dioxane; dichloromethane; water; toluene;
DOI:10.1021/jacs.5b09308